Adsorption and diffusion of oxygen on metal surfaces studied by first-principle study: A review

•Review on adsorption and diffusion behavior of oxygen molecule or atom on metal surfaces by DFT.•Dissociative adsorption of oxygen molecule, adsorption characteristics of oxygen atom and defect surfaces are summarized.•Discussion on the diffusion process of oxygen from first-principles simulation.•Limitations of first-principle calculations on adsorption and diffusion are summarized.